2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine

C15H26N4 — CID 106116461

IUPAC2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine
SMILESCCCC(CCN)CNc1ncnc2c1CCCC2
InChIInChI=1S/C15H26N4/c1-2-5-12(8-9-16)10-17-15-13-6-3-4-7-14(13)18-11-19-15/h11-12H,2-10,16H2,1H3,(H,17,18,19)
InChIKeyHPUBMADCFBSAQL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds7

About 2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine

2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine (PubChem CID 106116461) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine
PubChem CID106116461
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine
SMILESCCCC(CCN)CNc1ncnc2c1CCCC2
InChIInChI=1S/C15H26N4/c1-2-5-12(8-9-16)10-17-15-13-6-3-4-7-14(13)18-11-19-15/h11-12H,2-10,16H2,1H3,(H,17,18,19)
InChIKeyHPUBMADCFBSAQL-UHFFFAOYSA-N
XLogP2.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]hexan-1-ol
CID 103827619
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pentane-1,2-diamine
CID 65193301
N-(2-chloro-3-methylbutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113492831
2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142476
2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine
CID 106143012
N-(2-phenylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 104591722
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114138445
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 113259136
(E)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)but-2-ene-1,4-diamine
CID 113414897
2-methyl-5-(5,6,7,8-tetrahydroquinazolin-4-ylamino)pentan-1-ol
CID 103858517

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine?
The IUPAC name of 2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine (CID 106116461) is 2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine.
What is the SMILES notation for 2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine?
The canonical SMILES for 2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine is CCCC(CCN)CNc1ncnc2c1CCCC2.
What is the InChIKey of 2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine?
The InChIKey is HPUBMADCFBSAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-5-12(8-9-16)10-17-15-13-6-3-4-7-14(13)18-11-19-15/h11-12H,2-10,16H2,1H3,(H,17,18,19).
What are the key properties of 2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine?
2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 106116461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).