3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine

C15H33N3 — CID 81468809

IUPAC3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine
SMILESCCCCN(C(C)CC)C1(CN)CC(C)N(C)C1
InChIInChI=1S/C15H33N3/c1-6-8-9-18(13(3)7-2)15(11-16)10-14(4)17(5)12-15/h13-14H,6-12,16H2,1-5H3
InChIKeyLMNCAJQMXPRUMJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.31
Rot. Bonds7

About 3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine

3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81468809) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine
PubChem CID81468809
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine
SMILESCCCCN(C(C)CC)C1(CN)CC(C)N(C)C1
InChIInChI=1S/C15H33N3/c1-6-8-9-18(13(3)7-2)15(11-16)10-14(4)17(5)12-15/h13-14H,6-12,16H2,1-5H3
InChIKeyLMNCAJQMXPRUMJ-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine
CID 55141796
4-(aminomethyl)-N-butan-2-yl-N-butyl-1-methylazepan-4-amine
CID 65075573
3-(aminomethyl)-N,N,1,5-tetramethylpyrrolidin-3-amine
CID 81467881
3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine
CID 82717640
1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine
CID 106663071
3-(aminomethyl)-N-cyclopropyl-N-ethyl-1,5-dimethylpyrrolidin-3-amine
CID 81467476
1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65087976
3-(aminomethyl)-N,N-bis(cyclopropylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467695
3-(aminomethyl)-N,1,5-trimethyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 81467887
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,1-dioxothian-3-amine
CID 63922457
2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63466831
3-(aminomethyl)-N-butan-2-yl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43272772

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine (CID 81468809) is 3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine is CCCCN(C(C)CC)C1(CN)CC(C)N(C)C1.
What is the InChIKey of 3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is LMNCAJQMXPRUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-8-9-18(13(3)7-2)15(11-16)10-14(4)17(5)12-15/h13-14H,6-12,16H2,1-5H3.
What are the key properties of 3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine?
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 255.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81468809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).