N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine

C9H18N2 — CID 123322679

IUPACN,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine
SMILESCNC1C=NCC(C)CC1C
InChIInChI=1S/C9H18N2/c1-7-4-8(2)9(10-3)6-11-5-7/h6-10H,4-5H2,1-3H3
InChIKeyAGKURXCQIKVHFU-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.32
Rot. Bonds1

About N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine

N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine (PubChem CID 123322679) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine
PubChem CID123322679
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine
SMILESCNC1C=NCC(C)CC1C
InChIInChI=1S/C9H18N2/c1-7-4-8(2)9(10-3)6-11-5-7/h6-10H,4-5H2,1-3H3
InChIKeyAGKURXCQIKVHFU-UHFFFAOYSA-N
XLogP1.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine?
The IUPAC name of N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine (CID 123322679) is N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine.
What is the SMILES notation for N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine?
The canonical SMILES for N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine is CNC1C=NCC(C)CC1C.
What is the InChIKey of N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine?
The InChIKey is AGKURXCQIKVHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-4-8(2)9(10-3)6-11-5-7/h6-10H,4-5H2,1-3H3.
What are the key properties of N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine?
N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine has a molecular weight of 154.26 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-3,4,5,6-tetrahydro-2H-azepin-6-amine is sourced from PubChem (CID 123322679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).