N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine

C13H21N3 — CID 170275189

IUPACN,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine
SMILESC/C=C\C1=C(N(C)CCC)N=CCN=C1C
InChIInChI=1S/C13H21N3/c1-5-7-12-11(3)14-8-9-15-13(12)16(4)10-6-2/h5,7,9H,6,8,10H2,1-4H3/b7-5-
InChIKeyIOBYRCHSVSHRSI-ALCCZGGFSA-N
MW219.33 g/mol
LogP2.66
Rot. Bonds4

About N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine

N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine (PubChem CID 170275189) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine.

Molecular Properties

Compound NameN,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine
PubChem CID170275189
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine
SMILESC/C=C\C1=C(N(C)CCC)N=CCN=C1C
InChIInChI=1S/C13H21N3/c1-5-7-12-11(3)14-8-9-15-13(12)16(4)10-6-2/h5,7,9H,6,8,10H2,1-4H3/b7-5-
InChIKeyIOBYRCHSVSHRSI-ALCCZGGFSA-N
XLogP2.66
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine?
The IUPAC name of N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine (CID 170275189) is N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine.
What is the SMILES notation for N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine?
The canonical SMILES for N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine is C/C=C\C1=C(N(C)CCC)N=CCN=C1C.
What is the InChIKey of N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine?
The InChIKey is IOBYRCHSVSHRSI-ALCCZGGFSA-N. The full InChI is InChI=1S/C13H21N3/c1-5-7-12-11(3)14-8-9-15-13(12)16(4)10-6-2/h5,7,9H,6,8,10H2,1-4H3/b7-5-.
What are the key properties of N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine?
N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine has a molecular weight of 219.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine is sourced from PubChem (CID 170275189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).