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

C16H28N4 — CID 106143012

IUPAC2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine
SMILESCC(C)(CCCN)CNc1ncnc2c1CCCCC2
InChIInChI=1S/C16H28N4/c1-16(2,9-6-10-17)11-18-15-13-7-4-3-5-8-14(13)19-12-20-15/h12H,3-11,17H2,1-2H3,(H,18,19,20)
InChIKeyTVSFLCSMVDBAFX-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.92
Rot. Bonds6

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

2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine (PubChem CID 106143012) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine
PubChem CID106143012
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine
SMILESCC(C)(CCCN)CNc1ncnc2c1CCCCC2
InChIInChI=1S/C16H28N4/c1-16(2,9-6-10-17)11-18-15-13-7-4-3-5-8-14(13)19-12-20-15/h12H,3-11,17H2,1-2H3,(H,18,19,20)
InChIKeyTVSFLCSMVDBAFX-UHFFFAOYSA-N
XLogP2.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142476
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
N-(5,5,5-trifluoropentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115486583
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)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115486566
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-methoxypentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103827520

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine?
The IUPAC name of 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine (CID 106143012) is 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine?
The canonical SMILES for 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine is CC(C)(CCCN)CNc1ncnc2c1CCCCC2.
What is the InChIKey of 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine?
The InChIKey is TVSFLCSMVDBAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-16(2,9-6-10-17)11-18-15-13-7-4-3-5-8-14(13)19-12-20-15/h12H,3-11,17H2,1-2H3,(H,18,19,20).
What are the key properties of 2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine?
2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine has a molecular weight of 276.43 g/mol, XLogP of 2.92, 6 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)pentane-1,5-diamine is sourced from PubChem (CID 106143012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).