N-butyl-2,2,7,7-tetramethylazepan-4-amine

C14H30N2 — CID 138568123

IUPACN-butyl-2,2,7,7-tetramethylazepan-4-amine
SMILESCCCCNC1CCC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-6-7-10-15-12-8-9-13(2,3)16-14(4,5)11-12/h12,15-16H,6-11H2,1-5H3
InChIKeySULRCMCMAGCHRG-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.08
Rot. Bonds4

About N-butyl-2,2,7,7-tetramethylazepan-4-amine

N-butyl-2,2,7,7-tetramethylazepan-4-amine (PubChem CID 138568123) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-butyl-2,2,7,7-tetramethylazepan-4-amine.

Molecular Properties

Compound NameN-butyl-2,2,7,7-tetramethylazepan-4-amine
PubChem CID138568123
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-butyl-2,2,7,7-tetramethylazepan-4-amine
SMILESCCCCNC1CCC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-6-7-10-15-12-8-9-13(2,3)16-14(4,5)11-12/h12,15-16H,6-11H2,1-5H3
InChIKeySULRCMCMAGCHRG-UHFFFAOYSA-N
XLogP3.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 68740612
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
CID 22982947
CID 22982947
N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one
CID 159184325
N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine
CID 151904860
N-hexyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine
CID 173322725
N-[(4-butylcyclohexyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 94964344
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
CID 22982962
CID 22982962
N-heptan-3-yl-2,2,6,6-tetramethylpiperidin-4-amine
CID 63944315
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
N-(3,3-dimethylbutyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 55023892

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,7,7-tetramethylazepan-4-amine?
The IUPAC name of N-butyl-2,2,7,7-tetramethylazepan-4-amine (CID 138568123) is N-butyl-2,2,7,7-tetramethylazepan-4-amine.
What is the SMILES notation for N-butyl-2,2,7,7-tetramethylazepan-4-amine?
The canonical SMILES for N-butyl-2,2,7,7-tetramethylazepan-4-amine is CCCCNC1CCC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-butyl-2,2,7,7-tetramethylazepan-4-amine?
The InChIKey is SULRCMCMAGCHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-7-10-15-12-8-9-13(2,3)16-14(4,5)11-12/h12,15-16H,6-11H2,1-5H3.
What are the key properties of N-butyl-2,2,7,7-tetramethylazepan-4-amine?
N-butyl-2,2,7,7-tetramethylazepan-4-amine has a molecular weight of 226.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,7,7-tetramethylazepan-4-amine is sourced from PubChem (CID 138568123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).