N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine

C16H34N2 — CID 61207361

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCC1CCN(C(C)C)C1
InChIInChI=1S/C16H34N2/c1-4-5-6-7-8-9-11-17-13-16-10-12-18(14-16)15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyANFXRAVXWGIKJV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds10

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine (PubChem CID 61207361) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
PubChem CID61207361
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCC1CCN(C(C)C)C1
InChIInChI=1S/C16H34N2/c1-4-5-6-7-8-9-11-17-13-16-10-12-18(14-16)15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyANFXRAVXWGIKJV-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine
CID 61207933
3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 81093588
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine
CID 62511473
2-methyl-1-pentyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111129391
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-[(1-hexan-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62513962
4-octyl-1-propan-2-ylpiperidine
CID 167231286
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine (CID 61207361) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine is CCCCCCCCNCC1CCN(C(C)C)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine?
The InChIKey is ANFXRAVXWGIKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-5-6-7-8-9-11-17-13-16-10-12-18(14-16)15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine is sourced from PubChem (CID 61207361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).