N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine

C15H25N3 — CID 70163344

IUPACN,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine
SMILESC=CCN(CC=C)C1CCCCN2CCCN=C12
InChIInChI=1S/C15H25N3/c1-3-10-17(11-4-2)14-8-5-6-12-18-13-7-9-16-15(14)18/h3-4,14H,1-2,5-13H2
InChIKeyDUDAHPGYAPSIEZ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.32
Rot. Bonds5

About N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine

N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine (PubChem CID 70163344) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine
PubChem CID70163344
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine
SMILESC=CCN(CC=C)C1CCCCN2CCCN=C12
InChIInChI=1S/C15H25N3/c1-3-10-17(11-4-2)14-8-5-6-12-18-13-7-9-16-15(14)18/h3-4,14H,1-2,5-13H2
InChIKeyDUDAHPGYAPSIEZ-UHFFFAOYSA-N
XLogP2.32
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine?
The IUPAC name of N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine (CID 70163344) is N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine is C=CCN(CC=C)C1CCCCN2CCCN=C12.
What is the InChIKey of N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine?
The InChIKey is DUDAHPGYAPSIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-10-17(11-4-2)14-8-5-6-12-18-13-7-9-16-15(14)18/h3-4,14H,1-2,5-13H2.
What are the key properties of N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine?
N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine has a molecular weight of 247.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine is sourced from PubChem (CID 70163344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).