2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine

C15H26N4 — CID 106142476

IUPAC2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine
SMILESCC(C)(CCN)CNc1ncnc2c1CCCCC2
InChIInChI=1S/C15H26N4/c1-15(2,8-9-16)10-17-14-12-6-4-3-5-7-13(12)18-11-19-14/h11H,3-10,16H2,1-2H3,(H,17,18,19)
InChIKeyXGDNBTYUBQPUKA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds5

About 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine

2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine (PubChem CID 106142476) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine
PubChem CID106142476
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine
SMILESCC(C)(CCN)CNc1ncnc2c1CCCCC2
InChIInChI=1S/C15H26N4/c1-15(2,8-9-16)10-17-14-12-6-4-3-5-7-13(12)18-11-19-14/h11H,3-10,16H2,1-2H3,(H,17,18,19)
InChIKeyXGDNBTYUBQPUKA-UHFFFAOYSA-N
XLogP2.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine with MolForge

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Related Compounds

2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine
CID 106143012
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
2-ethyl-2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]butanoic acid
CID 115430040
2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine
CID 105060634
(E)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)but-2-ene-1,4-diamine
CID 113414897
N-(3-methylpentan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114174318
N-(5,5,5-trifluoropentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115486583
2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine
CID 106116461
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2,2-difluoropropan-1-ol
CID 104858582
N-(2-chloro-3-methylbutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113492831
N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115486566
N-(3-methylbut-2-enyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103525255

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine (CID 106142476) is 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine is CC(C)(CCN)CNc1ncnc2c1CCCCC2.
What is the InChIKey of 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine?
The InChIKey is XGDNBTYUBQPUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(2,8-9-16)10-17-14-12-6-4-3-5-7-13(12)18-11-19-14/h11H,3-10,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine?
2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 106142476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).