(2S)-N-butan-2-ylheptan-2-amine

C11H25N — CID 163467139

IUPAC(2S)-N-butan-2-ylheptan-2-amine
SMILESCCCCC[C@H](C)NC(C)CC
InChIInChI=1S/C11H25N/c1-5-7-8-9-11(4)12-10(3)6-2/h10-12H,5-9H2,1-4H3/t10?,11-/m0/s1
InChIKeyBTOANIZVFWUVKQ-DTIOYNMSSA-N
MW171.33 g/mol
LogP3.34
Rot. Bonds7

About (2S)-N-butan-2-ylheptan-2-amine

(2S)-N-butan-2-ylheptan-2-amine (PubChem CID 163467139) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is (2S)-N-butan-2-ylheptan-2-amine.

Molecular Properties

Compound Name(2S)-N-butan-2-ylheptan-2-amine
PubChem CID163467139
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name(2S)-N-butan-2-ylheptan-2-amine
SMILESCCCCC[C@H](C)NC(C)CC
InChIInChI=1S/C11H25N/c1-5-7-8-9-11(4)12-10(3)6-2/h10-12H,5-9H2,1-4H3/t10?,11-/m0/s1
InChIKeyBTOANIZVFWUVKQ-DTIOYNMSSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecan-2-yltetradecan-2-amine
CID 20841578
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
N-heptan-4-ylheptan-2-amine
CID 43572732
1-(pentadecan-2-ylamino)ethanol
CID 90985657
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
CID 94840789
1-(nonan-2-ylamino)ethanol;hydrochloride
CID 175146567
N-(1,1-difluoropropan-2-yl)heptan-2-amine
CID 102868275
1-(heptan-2-ylamino)butan-1-ol
CID 155661002
2-(butan-2-ylamino)undecan-1-ol
CID 114078301

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butan-2-ylheptan-2-amine?
The IUPAC name of (2S)-N-butan-2-ylheptan-2-amine (CID 163467139) is (2S)-N-butan-2-ylheptan-2-amine.
What is the SMILES notation for (2S)-N-butan-2-ylheptan-2-amine?
The canonical SMILES for (2S)-N-butan-2-ylheptan-2-amine is CCCCC[C@H](C)NC(C)CC.
What is the InChIKey of (2S)-N-butan-2-ylheptan-2-amine?
The InChIKey is BTOANIZVFWUVKQ-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H25N/c1-5-7-8-9-11(4)12-10(3)6-2/h10-12H,5-9H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of (2S)-N-butan-2-ylheptan-2-amine?
(2S)-N-butan-2-ylheptan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butan-2-ylheptan-2-amine is sourced from PubChem (CID 163467139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).