(7R)-N,1,7-tri(propan-2-yl)azepan-4-amine

C15H32N2 — CID 152916334

IUPAC(7R)-N,1,7-tri(propan-2-yl)azepan-4-amine
SMILESCC(C)NC1CC[C@H](C(C)C)N(C(C)C)CC1
InChIInChI=1S/C15H32N2/c1-11(2)15-8-7-14(16-12(3)4)9-10-17(15)13(5)6/h11-16H,7-10H2,1-6H3/t14?,15-/m1/s1
InChIKeyUIFCHBQOWLBAAM-YSSOQSIOSA-N
MW240.44 g/mol
LogP3.27
Rot. Bonds4

About (7R)-N,1,7-tri(propan-2-yl)azepan-4-amine

(7R)-N,1,7-tri(propan-2-yl)azepan-4-amine (PubChem CID 152916334) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is (7R)-N,1,7-tri(propan-2-yl)azepan-4-amine.

Molecular Properties

Compound Name(7R)-N,1,7-tri(propan-2-yl)azepan-4-amine
PubChem CID152916334
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name(7R)-N,1,7-tri(propan-2-yl)azepan-4-amine
SMILESCC(C)NC1CC[C@H](C(C)C)N(C(C)C)CC1
InChIInChI=1S/C15H32N2/c1-11(2)15-8-7-14(16-12(3)4)9-10-17(15)13(5)6/h11-16H,7-10H2,1-6H3/t14?,15-/m1/s1
InChIKeyUIFCHBQOWLBAAM-YSSOQSIOSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-N,1,7-tri(propan-2-yl)azepan-4-amine?
The IUPAC name of (7R)-N,1,7-tri(propan-2-yl)azepan-4-amine (CID 152916334) is (7R)-N,1,7-tri(propan-2-yl)azepan-4-amine.
What is the SMILES notation for (7R)-N,1,7-tri(propan-2-yl)azepan-4-amine?
The canonical SMILES for (7R)-N,1,7-tri(propan-2-yl)azepan-4-amine is CC(C)NC1CC[C@H](C(C)C)N(C(C)C)CC1.
What is the InChIKey of (7R)-N,1,7-tri(propan-2-yl)azepan-4-amine?
The InChIKey is UIFCHBQOWLBAAM-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H32N2/c1-11(2)15-8-7-14(16-12(3)4)9-10-17(15)13(5)6/h11-16H,7-10H2,1-6H3/t14?,15-/m1/s1.
What are the key properties of (7R)-N,1,7-tri(propan-2-yl)azepan-4-amine?
(7R)-N,1,7-tri(propan-2-yl)azepan-4-amine has a molecular weight of 240.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N,1,7-tri(propan-2-yl)azepan-4-amine is sourced from PubChem (CID 152916334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).