N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine

C16H33N3 — CID 83963196

IUPACN-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine
SMILESCCCNCCC1CCN(CCNCC2CCC2)C1
InChIInChI=1S/C16H33N3/c1-2-8-17-9-6-16-7-11-19(14-16)12-10-18-13-15-4-3-5-15/h15-18H,2-14H2,1H3
InChIKeyPSTBYWRSCODXPP-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.09
Rot. Bonds10

About N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine

N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine (PubChem CID 83963196) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine
PubChem CID83963196
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine
SMILESCCCNCCC1CCN(CCNCC2CCC2)C1
InChIInChI=1S/C16H33N3/c1-2-8-17-9-6-16-7-11-19(14-16)12-10-18-13-15-4-3-5-15/h15-18H,2-14H2,1H3
InChIKeyPSTBYWRSCODXPP-UHFFFAOYSA-N
XLogP2.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.09
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

2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine
CID 83963164
N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine
CID 83963211
N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 83963231
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
tert-butyl N-[[1-[2-(propylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963319
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62582031
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071251
N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 106019257
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine (CID 83963196) is N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine is CCCNCCC1CCN(CCNCC2CCC2)C1.
What is the InChIKey of N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine?
The InChIKey is PSTBYWRSCODXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-2-8-17-9-6-16-7-11-19(14-16)12-10-18-13-15-4-3-5-15/h15-18H,2-14H2,1H3.
What are the key properties of N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine?
N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 83963196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).