N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine

C16H34N2 — CID 104692382

IUPACN-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine
SMILESCCC1CCCCCN1C(C)CCNC(C)(C)C
InChIInChI=1S/C16H34N2/c1-6-15-10-8-7-9-13-18(15)14(2)11-12-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyADCBMDSTMDRQFN-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds5

About N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine

N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine (PubChem CID 104692382) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine
PubChem CID104692382
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine
SMILESCCC1CCCCCN1C(C)CCNC(C)(C)C
InChIInChI=1S/C16H34N2/c1-6-15-10-8-7-9-13-18(15)14(2)11-12-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyADCBMDSTMDRQFN-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(2-ethylpiperidin-1-yl)butan-1-amine
CID 62421039
N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061621
N-tert-butyl-3-(2,3-dimethylpiperidin-1-yl)butan-1-amine
CID 62413689
4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 104691662
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-tert-butylbutan-1-amine
CID 65322192
ethane;2-ethyl-1-pentan-2-ylpyrrolidine
CID 156889102
4-(2-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 64727643
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524
N-tert-butyl-3-(5-ethyl-2-methylmorpholin-4-yl)butan-1-amine
CID 62462303
N-[2-(2-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62417609
4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 64726316
1-amino-4-(2-ethylpiperidin-1-yl)-2-methylpentan-2-ol
CID 64820664

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine (CID 104692382) is N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine is CCC1CCCCCN1C(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine?
The InChIKey is ADCBMDSTMDRQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-15-10-8-7-9-13-18(15)14(2)11-12-17-16(3,4)5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine?
N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine is sourced from PubChem (CID 104692382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).