N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine

C14H27N5 — CID 107059258

IUPACN-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1Cc1nnn(C)n1
InChIInChI=1S/C14H27N5/c1-11(2)15-10-13-8-6-4-5-7-12(13)9-14-16-18-19(3)17-14/h11-13,15H,4-10H2,1-3H3
InChIKeyCUEJGNGCBGYXGR-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.95
Rot. Bonds5

About N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine

N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine (PubChem CID 107059258) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine
PubChem CID107059258
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1Cc1nnn(C)n1
InChIInChI=1S/C14H27N5/c1-11(2)15-10-13-8-6-4-5-7-12(13)9-14-16-18-19(3)17-14/h11-13,15H,4-10H2,1-3H3
InChIKeyCUEJGNGCBGYXGR-UHFFFAOYSA-N
XLogP1.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-ol
CID 107052325
2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine
CID 107044665
1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107054065
N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035056
N-[[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81024685
N-[[2-[(4-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81026709
N-[[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81027565
N-[(2-benzylcycloheptyl)methyl]propan-2-amine
CID 81026493
N-[1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048630
1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048433
1-cyclopentyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107044748
1-cyclopentyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107044752

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine (CID 107059258) is N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine is CC(C)NCC1CCCCCC1Cc1nnn(C)n1.
What is the InChIKey of N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine?
The InChIKey is CUEJGNGCBGYXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11(2)15-10-13-8-6-4-5-7-12(13)9-14-16-18-19(3)17-14/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine?
N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 107059258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).