3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine

C15H29N3O — CID 114466264

IUPAC3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
SMILESC=C(C)COCCNC1(CN)CC(C)N(C2CC2)C1
InChIInChI=1S/C15H29N3O/c1-12(2)9-19-7-6-17-15(10-16)8-13(3)18(11-15)14-4-5-14/h13-14,17H,1,4-11,16H2,2-3H3
InChIKeyWLKWETTUXVOLPN-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.12
Rot. Bonds8

About 3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine

3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine (PubChem CID 114466264) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
PubChem CID114466264
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
SMILESC=C(C)COCCNC1(CN)CC(C)N(C2CC2)C1
InChIInChI=1S/C15H29N3O/c1-12(2)9-19-7-6-17-15(10-16)8-13(3)18(11-15)14-4-5-14/h13-14,17H,1,4-11,16H2,2-3H3
InChIKeyWLKWETTUXVOLPN-UHFFFAOYSA-N
XLogP1.12
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enoxy)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639503
1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 113343766
3-(aminomethyl)-1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 113589277
3-Cyclopropyl-1-[2-(2-methylprop-2-enoxy)ethyl]-1,4-diazepane
CID 113589731
1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine
CID 114264046
N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 114465678
4-(aminomethyl)-1,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
CID 114466178
3-(aminomethyl)-1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine
CID 114466325
2,4-dimethyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466344
3-(aminomethyl)-1,5-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine
CID 114466450
3-cyclopropyl-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
CID 114466558
2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466591

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine (CID 114466264) is 3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine is C=C(C)COCCNC1(CN)CC(C)N(C2CC2)C1.
What is the InChIKey of 3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is WLKWETTUXVOLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)9-19-7-6-17-15(10-16)8-13(3)18(11-15)14-4-5-14/h13-14,17H,1,4-11,16H2,2-3H3.
What are the key properties of 3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine?
3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 267.42 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclopropyl-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 114466264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).