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

C13H25N5 — CID 114125134

IUPACN-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCCC1(Cn2nnnc2CNC(C)C)CCCC1
InChIInChI=1S/C13H25N5/c1-4-13(7-5-6-8-13)10-18-12(15-16-17-18)9-14-11(2)3/h11,14H,4-10H2,1-3H3
InChIKeyVKVJRKNUUZZXKS-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.14
Rot. Bonds6

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

N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 114125134) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
PubChem CID114125134
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCCC1(Cn2nnnc2CNC(C)C)CCCC1
InChIInChI=1S/C13H25N5/c1-4-13(7-5-6-8-13)10-18-12(15-16-17-18)9-14-11(2)3/h11,14H,4-10H2,1-3H3
InChIKeyVKVJRKNUUZZXKS-UHFFFAOYSA-N
XLogP2.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine (CID 114125134) is N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine is CCC1(Cn2nnnc2CNC(C)C)CCCC1.
What is the InChIKey of N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is VKVJRKNUUZZXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-13(7-5-6-8-13)10-18-12(15-16-17-18)9-14-11(2)3/h11,14H,4-10H2,1-3H3.
What are the key properties of N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 251.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-ethylcyclopentyl)methyl]tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114125134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).