(5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine

C16H34N2 — CID 153291240

IUPAC(5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
SMILESCC(C)NC1CCN(C(C)C)CC[C@H]1C(C)(C)C
InChIInChI=1S/C16H34N2/c1-12(2)17-15-9-11-18(13(3)4)10-8-14(15)16(5,6)7/h12-15,17H,8-11H2,1-7H3/t14-,15?/m1/s1
InChIKeyXBCWCIMBOBFBEB-GICMACPYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds3

About (5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine

(5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine (PubChem CID 153291240) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is (5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine.

Molecular Properties

Compound Name(5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
PubChem CID153291240
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name(5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
SMILESCC(C)NC1CCN(C(C)C)CC[C@H]1C(C)(C)C
InChIInChI=1S/C16H34N2/c1-12(2)17-15-9-11-18(13(3)4)10-8-14(15)16(5,6)7/h12-15,17H,8-11H2,1-7H3/t14-,15?/m1/s1
InChIKeyXBCWCIMBOBFBEB-GICMACPYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane
CID 142347819
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-amine
CID 170184824
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
CID 65333127
2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine
CID 43673879
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
1,4-di(propan-2-yl)piperidine
CID 21303253
1,3-difluoro-N-propan-2-ylpiperidin-4-amine
CID 174849475
3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol
CID 115722818
2-methyl-N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 156518098
4-bromo-1-propan-2-ylpiperidine
CID 67026231

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
The IUPAC name of (5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine (CID 153291240) is (5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine.
What is the SMILES notation for (5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
The canonical SMILES for (5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine is CC(C)NC1CCN(C(C)C)CC[C@H]1C(C)(C)C.
What is the InChIKey of (5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
The InChIKey is XBCWCIMBOBFBEB-GICMACPYSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(2)17-15-9-11-18(13(3)4)10-8-14(15)16(5,6)7/h12-15,17H,8-11H2,1-7H3/t14-,15?/m1/s1.
What are the key properties of (5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
(5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine is sourced from PubChem (CID 153291240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).