2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine

C14H29N5 — CID 62761534

IUPAC2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)CCCC(C)n1nnnc1CNC(C)(C)C
InChIInChI=1S/C14H29N5/c1-11(2)8-7-9-12(3)19-13(16-17-18-19)10-15-14(4,5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyJXTCIIWXBLDNQB-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.95
Rot. Bonds7

About 2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62761534) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62761534
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC Name2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)CCCC(C)n1nnnc1CNC(C)(C)C
InChIInChI=1S/C14H29N5/c1-11(2)8-7-9-12(3)19-13(16-17-18-19)10-15-14(4,5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyJXTCIIWXBLDNQB-UHFFFAOYSA-N
XLogP2.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine (CID 62761534) is 2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)CCCC(C)n1nnnc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is JXTCIIWXBLDNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-11(2)8-7-9-12(3)19-13(16-17-18-19)10-15-14(4,5)6/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62761534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).