N-[(1R)-1-cycloheptylethyl]heptan-2-amine

C16H33N — CID 81390133

IUPACN-[(1R)-1-cycloheptylethyl]heptan-2-amine
SMILESCCCCCC(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C16H33N/c1-4-5-8-11-14(2)17-15(3)16-12-9-6-7-10-13-16/h14-17H,4-13H2,1-3H3/t14?,15-/m1/s1
InChIKeyZKAHUNKYTWLCNP-YSSOQSIOSA-N
MW239.45 g/mol
LogP4.90
Rot. Bonds7

About N-[(1R)-1-cycloheptylethyl]heptan-2-amine

N-[(1R)-1-cycloheptylethyl]heptan-2-amine (PubChem CID 81390133) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[(1R)-1-cycloheptylethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-cycloheptylethyl]heptan-2-amine
PubChem CID81390133
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[(1R)-1-cycloheptylethyl]heptan-2-amine
SMILESCCCCCC(C)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C16H33N/c1-4-5-8-11-14(2)17-15(3)16-12-9-6-7-10-13-16/h14-17H,4-13H2,1-3H3/t14?,15-/m1/s1
InChIKeyZKAHUNKYTWLCNP-YSSOQSIOSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.90
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-(1-cyclopropylethyl)hexan-2-amine
CID 43776552
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
CID 97051641
4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43761162
N-[(1S)-1-cyclohexylethyl]heptan-3-amine
CID 81387279
N-heptan-2-ylcycloheptanamine
CID 43082272
N-[1-(1-methylpiperidin-4-yl)ethyl]hexan-2-amine
CID 62196752
N-(1-cyclopropylethyl)undecan-6-amine
CID 43776560
N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine
CID 104584284
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine
CID 104866870
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
CID 114279938

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cycloheptylethyl]heptan-2-amine?
The IUPAC name of N-[(1R)-1-cycloheptylethyl]heptan-2-amine (CID 81390133) is N-[(1R)-1-cycloheptylethyl]heptan-2-amine.
What is the SMILES notation for N-[(1R)-1-cycloheptylethyl]heptan-2-amine?
The canonical SMILES for N-[(1R)-1-cycloheptylethyl]heptan-2-amine is CCCCCC(C)N[C@H](C)C1CCCCCC1.
What is the InChIKey of N-[(1R)-1-cycloheptylethyl]heptan-2-amine?
The InChIKey is ZKAHUNKYTWLCNP-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H33N/c1-4-5-8-11-14(2)17-15(3)16-12-9-6-7-10-13-16/h14-17H,4-13H2,1-3H3/t14?,15-/m1/s1.
What are the key properties of N-[(1R)-1-cycloheptylethyl]heptan-2-amine?
N-[(1R)-1-cycloheptylethyl]heptan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cycloheptylethyl]heptan-2-amine is sourced from PubChem (CID 81390133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).