N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine

C15H22N4 — CID 133275480

IUPACN'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine
SMILESCCN(CCNc1ncnc2ccccc12)C(C)C
InChIInChI=1S/C15H22N4/c1-4-19(12(2)3)10-9-16-15-13-7-5-6-8-14(13)17-11-18-15/h5-8,11-12H,4,9-10H2,1-3H3,(H,16,17,18)
InChIKeyLTURIXNHMCWYJE-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.77
Rot. Bonds6

About N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine

N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine (PubChem CID 133275480) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine
PubChem CID133275480
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine
SMILESCCN(CCNc1ncnc2ccccc12)C(C)C
InChIInChI=1S/C15H22N4/c1-4-19(12(2)3)10-9-16-15-13-7-5-6-8-14(13)17-11-18-15/h5-8,11-12H,4,9-10H2,1-3H3,(H,16,17,18)
InChIKeyLTURIXNHMCWYJE-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
N-ethylquinazolin-4-amine;fluorobenzene
CID 174725840
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
N-[2-(diethylamino)ethyl]-2-(quinazolin-4-ylamino)propanamide
CID 110436209
N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
CID 110436131
N-(1,3-benzoxazol-2-yl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 133275489
3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
CID 66106208
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 133275460

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine (CID 133275480) is N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine is CCN(CCNc1ncnc2ccccc12)C(C)C.
What is the InChIKey of N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine?
The InChIKey is LTURIXNHMCWYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-19(12(2)3)10-9-16-15-13-7-5-6-8-14(13)17-11-18-15/h5-8,11-12H,4,9-10H2,1-3H3,(H,16,17,18).
What are the key properties of N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine?
N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-propan-2-yl-N-quinazolin-4-ylethane-1,2-diamine is sourced from PubChem (CID 133275480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).