N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine

C14H23N3 — CID 105493609

IUPACN-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine
SMILESCNCCCc1nc(C)c2c(n1)CCCCC2
InChIInChI=1S/C14H23N3/c1-11-12-7-4-3-5-8-13(12)17-14(16-11)9-6-10-15-2/h15H,3-10H2,1-2H3
InChIKeyYMNCBNZMGNGBGN-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine

N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine (PubChem CID 105493609) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine
PubChem CID105493609
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine
SMILESCNCCCc1nc(C)c2c(n1)CCCCC2
InChIInChI=1S/C14H23N3/c1-11-12-7-4-3-5-8-13(12)17-14(16-11)9-6-10-15-2/h15H,3-10H2,1-2H3
InChIKeyYMNCBNZMGNGBGN-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine
CID 105477904
2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride
CID 75530624
2-[2-(methylamino)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 105476582
3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propanoic acid
CID 105494737
(2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine
CID 95123282
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
5-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 29028743
3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine
CID 105499150
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255
4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide
CID 90650914
6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 72936445
(3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97130107

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine (CID 105493609) is N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine is CNCCCc1nc(C)c2c(n1)CCCCC2.
What is the InChIKey of N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine?
The InChIKey is YMNCBNZMGNGBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-12-7-4-3-5-8-13(12)17-14(16-11)9-6-10-15-2/h15H,3-10H2,1-2H3.
What are the key properties of N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine?
N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 105493609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).