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

C14H30N2 — CID 61207933

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCC1CCN(C(C)C)C1
InChIInChI=1S/C14H30N2/c1-5-6-7-13(4)15-10-14-8-9-16(11-14)12(2)3/h12-15H,5-11H2,1-4H3
InChIKeySWPDCCGHGTYTPZ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds7

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

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine (PubChem CID 61207933) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine
PubChem CID61207933
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCC1CCN(C(C)C)C1
InChIInChI=1S/C14H30N2/c1-5-6-7-13(4)15-10-14-8-9-16(11-14)12(2)3/h12-15H,5-11H2,1-4H3
InChIKeySWPDCCGHGTYTPZ-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine
CID 115712049
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
N-[(1-ethylpiperidin-3-yl)methyl]hexan-2-amine
CID 115714713
3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
CID 60855640
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 114829496
N-(cyclobutylmethyl)octan-2-amine
CID 43298239
N-(pyrrolidin-3-ylmethyl)hexan-2-amine
CID 63006351
N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine
CID 106019244

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine (CID 61207933) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine is CCCCC(C)NCC1CCN(C(C)C)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine?
The InChIKey is SWPDCCGHGTYTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-6-7-13(4)15-10-14-8-9-16(11-14)12(2)3/h12-15H,5-11H2,1-4H3.
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 7 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]hexan-2-amine is sourced from PubChem (CID 61207933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).