N,N-dimethyl-1H-1,3-diazepin-2-amine

C7H11N3 — CID 45087724

IUPACN,N-dimethyl-1H-1,3-diazepin-2-amine
SMILESCN(C)C1=NC=CC=CN1
InChIInChI=1S/C7H11N3/c1-10(2)7-8-5-3-4-6-9-7/h3-6H,1-2H3,(H,8,9)
InChIKeyDOQZDQRHFJOHCM-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.53
Rot. Bonds

About N,N-dimethyl-1H-1,3-diazepin-2-amine

N,N-dimethyl-1H-1,3-diazepin-2-amine (PubChem CID 45087724) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N,N-dimethyl-1H-1,3-diazepin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1H-1,3-diazepin-2-amine
PubChem CID45087724
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN,N-dimethyl-1H-1,3-diazepin-2-amine
SMILESCN(C)C1=NC=CC=CN1
InChIInChI=1S/C7H11N3/c1-10(2)7-8-5-3-4-6-9-7/h3-6H,1-2H3,(H,8,9)
InChIKeyDOQZDQRHFJOHCM-UHFFFAOYSA-N
XLogP0.53
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-1,3-Diazepine
CID 12312962
N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine
CID 134989535
N'-ethyl-N-prop-1-enylmethanimidamide
CID 54520223
1H-1,3-diazepin-2-amine
CID 57473077
1,3-bis[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]guanidine
CID 58030691
1H-1,3-diazepin-7-amine
CID 67193485
1-[(1Z)-buta-1,3-dienyl]-2-propylguanidine
CID 89205394
3-Methyl-1,2-dihydro-1,3-diazepine
CID 89925333
N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 90248445
N-ethenyl-N'-[(E)-prop-1-enyl]methanimidamide
CID 91073918
N-ethenyl-N'-prop-1-enylmethanimidamide
CID 91360893
2-methyl-1-[(E)-prop-1-enyl]guanidine
CID 101912208

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1H-1,3-diazepin-2-amine?
The IUPAC name of N,N-dimethyl-1H-1,3-diazepin-2-amine (CID 45087724) is N,N-dimethyl-1H-1,3-diazepin-2-amine.
What is the SMILES notation for N,N-dimethyl-1H-1,3-diazepin-2-amine?
The canonical SMILES for N,N-dimethyl-1H-1,3-diazepin-2-amine is CN(C)C1=NC=CC=CN1.
What is the InChIKey of N,N-dimethyl-1H-1,3-diazepin-2-amine?
The InChIKey is DOQZDQRHFJOHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-10(2)7-8-5-3-4-6-9-7/h3-6H,1-2H3,(H,8,9).
What are the key properties of N,N-dimethyl-1H-1,3-diazepin-2-amine?
N,N-dimethyl-1H-1,3-diazepin-2-amine has a molecular weight of 137.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1H-1,3-diazepin-2-amine is sourced from PubChem (CID 45087724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).