N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine

C10H23N3 — CID 115206314

IUPACN-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNC1CCN(C)C1
InChIInChI=1S/C10H23N3/c1-9(2)11-5-6-12-10-4-7-13(3)8-10/h9-12H,4-8H2,1-3H3
InChIKeyNAVUTFIHXVRUKY-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.28
Rot. Bonds5

About N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine

N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115206314) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID115206314
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNC1CCN(C)C1
InChIInChI=1S/C10H23N3/c1-9(2)11-5-6-12-10-4-7-13(3)8-10/h9-12H,4-8H2,1-3H3
InChIKeyNAVUTFIHXVRUKY-UHFFFAOYSA-N
XLogP0.28
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
CID 61485081
N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine
CID 103748169
N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 146359522
(3S)-N-heptyl-1-methylpyrrolidin-3-amine
CID 143197817
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127
N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252723
2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115203024
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
1-methyl-N-pent-3-ynylpyrrolidin-3-amine
CID 104806498
1-methyl-N-(4-methylpentyl)piperidin-4-amine
CID 61043783

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine (CID 115206314) is N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNC1CCN(C)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is NAVUTFIHXVRUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-9(2)11-5-6-12-10-4-7-13(3)8-10/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine?
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).