N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine

C18H37N — CID 104575984

IUPACN-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine
SMILESCC(C)(C)NCCCCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37N/c1-17(2,3)16-12-10-15(11-13-16)9-7-8-14-19-18(4,5)6/h15-16,19H,7-14H2,1-6H3
InChIKeyAWGPTWQVCMEWBC-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds5

About N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine

N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine (PubChem CID 104575984) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine
PubChem CID104575984
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine
SMILESCC(C)(C)NCCCCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37N/c1-17(2,3)16-12-10-15(11-13-16)9-7-8-14-19-18(4,5)6/h15-16,19H,7-14H2,1-6H3
InChIKeyAWGPTWQVCMEWBC-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.40
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

1-tert-butyl-4-tetradecylcyclohexane
CID 71420445
1-tert-butyl-4-[11-[11-(4-tert-butylcyclohexyl)undecylsulfanyl]undecyl]cyclohexane
CID 141375920
N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 62091294
1-tert-butyl-4-(4-pentylcyclohexyl)cyclohexane;ethane
CID 164591345
N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine
CID 114191147
1-[2-(4-tert-butylcyclohexyl)ethyl]-4-nonylcyclotetradecane
CID 58552788
N-tert-butyl-3-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 81023448
N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 79257227
1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768
1-(2-bromoethyl)-4-tert-butylcyclohexane
CID 22929646
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
N'-tert-butyl-N-cyclopropyloctane-1,8-diamine
CID 66338082

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine (CID 104575984) is N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine is CC(C)(C)NCCCCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine?
The InChIKey is AWGPTWQVCMEWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-17(2,3)16-12-10-15(11-13-16)9-7-8-14-19-18(4,5)6/h15-16,19H,7-14H2,1-6H3.
What are the key properties of N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine?
N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine is sourced from PubChem (CID 104575984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).