3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine

C14H30N2 — CID 62418445

IUPAC3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)N1CCCCCCC1
InChIInChI=1S/C14H30N2/c1-13(2)15-10-9-14(3)16-11-7-5-4-6-8-12-16/h13-15H,4-12H2,1-3H3
InChIKeyGRBFRGOQYDZJOZ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds5

About 3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine

3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 62418445) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
PubChem CID62418445
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)N1CCCCCCC1
InChIInChI=1S/C14H30N2/c1-13(2)15-10-9-14(3)16-11-7-5-4-6-8-12-16/h13-15H,4-12H2,1-3H3
InChIKeyGRBFRGOQYDZJOZ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-1-yl-N-propylbutan-1-amine
CID 62425080
N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007603
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
3-(2-methyl-1,4-oxazepan-4-yl)-N-propan-2-ylbutan-1-amine
CID 62974621
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425156
3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 55069047
N-tert-butyl-4-piperidin-1-ylpentan-1-amine
CID 55137410
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119
3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 63619642
3-pyrrolidin-1-ylbutane-1-thiol
CID 23362416
3-(azepan-1-yl)-N-benzylbutan-1-amine
CID 91402380

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine (CID 62418445) is 3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)N1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is GRBFRGOQYDZJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2)15-10-9-14(3)16-11-7-5-4-6-8-12-16/h13-15H,4-12H2,1-3H3.
What are the key properties of 3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine?
3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62418445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).