N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine

C11H19N3 — CID 134989535

IUPACN,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine
SMILESCC(C)N(C1=NC=CC=CN1)C(C)C
InChIInChI=1S/C11H19N3/c1-9(2)14(10(3)4)11-12-7-5-6-8-13-11/h5-10H,1-4H3,(H,12,13)
InChIKeyJZDIKHUQIVTKHY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.09
Rot. Bonds2

About N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine

N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine (PubChem CID 134989535) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine
PubChem CID134989535
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine
SMILESCC(C)N(C1=NC=CC=CN1)C(C)C
InChIInChI=1S/C11H19N3/c1-9(2)14(10(3)4)11-12-7-5-6-8-13-11/h5-10H,1-4H3,(H,12,13)
InChIKeyJZDIKHUQIVTKHY-UHFFFAOYSA-N
XLogP2.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
CID 11528677
N,N-di(propan-2-yl)-7-(trifluoromethyl)-1H-1,3-diazepin-2-amine
CID 21579023
1,1-Diethyl-3-prop-1-enyl-2-propylguanidine
CID 141286061
N-[(3E)-4-[butan-2-yl(methylaminomethyl)amino]buta-1,3-dien-2-yl]-N'-ethylmethanimidamide
CID 155371480
1,2-dimethyl-1,3-di(propan-2-yl)-3-[(Z)-prop-1-enyl]guanidine
CID 166684553
3-methyl-N-propan-2-yl-1,4-dihydropyrimidin-2-imine
CID 166815108
3-Ethenyl-1-ethyl-1-methyl-2-propan-2-ylguanidine
CID 170055961
N,N-dimethyl-1H-1,3-diazepin-2-amine
CID 45087724
2-[di(propan-2-yl)amino]-1H-1,3-diazepine-7-carbonitrile
CID 102516652

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine?
The IUPAC name of N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine (CID 134989535) is N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine.
What is the SMILES notation for N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine?
The canonical SMILES for N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine is CC(C)N(C1=NC=CC=CN1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine?
The InChIKey is JZDIKHUQIVTKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(2)14(10(3)4)11-12-7-5-6-8-13-11/h5-10H,1-4H3,(H,12,13).
What are the key properties of N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine?
N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-1H-1,3-diazepin-2-amine is sourced from PubChem (CID 134989535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).