(4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine

C9H21N3 — CID 163430337

IUPAC(4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine
SMILESCN[C@@H]1CC[C@H](C(C)C)NNC1
InChIInChI=1S/C9H21N3/c1-7(2)9-5-4-8(10-3)6-11-12-9/h7-12H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyAPXWYFKHSCRDQL-RKDXNWHRSA-N
MW171.29 g/mol
LogP0.49
Rot. Bonds2

About (4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine

(4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine (PubChem CID 163430337) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine.

Molecular Properties

Compound Name(4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine
PubChem CID163430337
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine
SMILESCN[C@@H]1CC[C@H](C(C)C)NNC1
InChIInChI=1S/C9H21N3/c1-7(2)9-5-4-8(10-3)6-11-12-9/h7-12H,4-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyAPXWYFKHSCRDQL-RKDXNWHRSA-N
XLogP0.49
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine?
The IUPAC name of (4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine (CID 163430337) is (4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine.
What is the SMILES notation for (4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine?
The canonical SMILES for (4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine is CN[C@@H]1CC[C@H](C(C)C)NNC1.
What is the InChIKey of (4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine?
The InChIKey is APXWYFKHSCRDQL-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)9-5-4-8(10-3)6-11-12-9/h7-12H,4-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine?
(4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine has a molecular weight of 171.29 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-N-methyl-7-propan-2-yldiazepan-4-amine is sourced from PubChem (CID 163430337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).