N-(pyrrolidin-3-ylmethyl)propan-1-amine

C8H18N2 — CID 13491799

IUPACN-(pyrrolidin-3-ylmethyl)propan-1-amine
SMILESCCCNCC1CCNC1
InChIInChI=1S/C8H18N2/c1-2-4-9-6-8-3-5-10-7-8/h8-10H,2-7H2,1H3
InChIKeyKYOLWTXOYMKDRP-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.60
Rot. Bonds4

About N-(pyrrolidin-3-ylmethyl)propan-1-amine

N-(pyrrolidin-3-ylmethyl)propan-1-amine (PubChem CID 13491799) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)propan-1-amine
PubChem CID13491799
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-(pyrrolidin-3-ylmethyl)propan-1-amine
SMILESCCCNCC1CCNC1
InChIInChI=1S/C8H18N2/c1-2-4-9-6-8-3-5-10-7-8/h8-10H,2-7H2,1H3
InChIKeyKYOLWTXOYMKDRP-UHFFFAOYSA-N
XLogP0.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
CID 159305562
2-methoxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 63006353
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
CID 11696932
ethane;N'-[(2S,5R)-5-methylheptan-2-yl]-N-[[(3S)-pyrrolidin-3-yl]methyl]ethane-1,2-diamine
CID 177134730
N-(pyrrolidin-3-ylmethyl)pentan-2-amine
CID 107886815
N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208872
2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208960
ethyl 2-[[(3S)-pyrrolidin-3-yl]methylamino]acetate;dihydrochloride
CID 86598225
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)propan-1-amine (CID 13491799) is N-(pyrrolidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)propan-1-amine is CCCNCC1CCNC1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)propan-1-amine?
The InChIKey is KYOLWTXOYMKDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-4-9-6-8-3-5-10-7-8/h8-10H,2-7H2,1H3.
What are the key properties of N-(pyrrolidin-3-ylmethyl)propan-1-amine?
N-(pyrrolidin-3-ylmethyl)propan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 13491799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).