(7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine

C16H34N2 — CID 153291257

IUPAC(7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
SMILESCC(C)NC1CC[C@H](C(C)(C)C)N(C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-12(2)17-14-8-9-15(16(5,6)7)18(11-10-14)13(3)4/h12-15,17H,8-11H2,1-7H3/t14?,15-/m1/s1
InChIKeyVLXRTLWXWDFTIS-YSSOQSIOSA-N
MW254.46 g/mol
LogP3.66
Rot. Bonds3

About (7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine

(7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine (PubChem CID 153291257) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is (7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine.

Molecular Properties

Compound Name(7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
PubChem CID153291257
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name(7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
SMILESCC(C)NC1CC[C@H](C(C)(C)C)N(C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-12(2)17-14-8-9-15(16(5,6)7)18(11-10-14)13(3)4/h12-15,17H,8-11H2,1-7H3/t14?,15-/m1/s1
InChIKeyVLXRTLWXWDFTIS-YSSOQSIOSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
The IUPAC name of (7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine (CID 153291257) is (7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine.
What is the SMILES notation for (7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
The canonical SMILES for (7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine is CC(C)NC1CC[C@H](C(C)(C)C)N(C(C)C)CC1.
What is the InChIKey of (7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
The InChIKey is VLXRTLWXWDFTIS-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(2)17-14-8-9-15(16(5,6)7)18(11-10-14)13(3)4/h12-15,17H,8-11H2,1-7H3/t14?,15-/m1/s1.
What are the key properties of (7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine?
(7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine has a molecular weight of 254.46 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine is sourced from PubChem (CID 153291257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).