N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine

C17H35N — CID 114229800

IUPACN-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine
SMILESCCCCCCC1(C)C(CNC(C)(C)C)C1(C)C
InChIInChI=1S/C17H35N/c1-8-9-10-11-12-17(7)14(16(17,5)6)13-18-15(2,3)4/h14,18H,8-13H2,1-7H3
InChIKeyLBVVFINUDYHFIF-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds7

About N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine

N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine (PubChem CID 114229800) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine
PubChem CID114229800
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine
SMILESCCCCCCC1(C)C(CNC(C)(C)C)C1(C)C
InChIInChI=1S/C17H35N/c1-8-9-10-11-12-17(7)14(16(17,5)6)13-18-15(2,3)4/h14,18H,8-13H2,1-7H3
InChIKeyLBVVFINUDYHFIF-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
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-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]propan-2-amine
CID 114229670
N-tert-butylnonadecan-1-amine
CID 87846739
2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine
CID 65194168
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
2,2-dimethylpropane;heptane
CID 144531055
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652
1-hexyl-1,2,2-trimethylcyclopropane
CID 123520586
1-N-tert-butyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propane-1,2-diamine
CID 113407554
2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225
(2,2,3-trimethyl-3-propylcyclopropyl)methanamine
CID 126974715
1,1-bis(octylamino)ethanol
CID 87347011
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine (CID 114229800) is N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine is CCCCCCC1(C)C(CNC(C)(C)C)C1(C)C.
What is the InChIKey of N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine?
The InChIKey is LBVVFINUDYHFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-8-9-10-11-12-17(7)14(16(17,5)6)13-18-15(2,3)4/h14,18H,8-13H2,1-7H3.
What are the key properties of N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine?
N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexyl-2,3,3-trimethylcyclopropyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114229800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).