N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine

C19H29N5 — CID 56550368

IUPACN-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine
SMILESCCN(CCCCCn1nnc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C19H29N5/c1-2-23(18-13-7-8-14-18)15-9-4-10-16-24-21-19(20-22-24)17-11-5-3-6-12-17/h3,5-6,11-12,18H,2,4,7-10,13-16H2,1H3
InChIKeyNKAZIHFRRBZQAQ-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.77
Rot. Bonds9

About N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine

N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine (PubChem CID 56550368) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine.

Molecular Properties

Compound NameN-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine
PubChem CID56550368
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine
SMILESCCN(CCCCCn1nnc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C19H29N5/c1-2-23(18-13-7-8-14-18)15-9-4-10-16-24-21-19(20-22-24)17-11-5-3-6-12-17/h3,5-6,11-12,18H,2,4,7-10,13-16H2,1H3
InChIKeyNKAZIHFRRBZQAQ-UHFFFAOYSA-N
XLogP3.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153
3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate
CID 86902646
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
4-[1-[ethyl-[5-(5-phenyltetrazol-2-yl)pentyl]amino]ethyl]benzonitrile
CID 56550402
5-phenyl-2-[3-(2-phenylpyrrolidin-1-yl)propyl]tetrazole
CID 155536442
2-methyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]cyclohexan-1-amine
CID 62563466
4-(5-phenyltetrazol-2-yl)-1-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]butan-1-one
CID 154800378
1-[3-(5-phenyltetrazol-2-yl)propyl]pyrazol-3-amine
CID 63310747
N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide
CID 56550592
(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124702735
[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone
CID 52525383
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124694433

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine?
The IUPAC name of N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine (CID 56550368) is N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine.
What is the SMILES notation for N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine?
The canonical SMILES for N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine is CCN(CCCCCn1nnc(-c2ccccc2)n1)C1CCCC1.
What is the InChIKey of N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine?
The InChIKey is NKAZIHFRRBZQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-2-23(18-13-7-8-14-18)15-9-4-10-16-24-21-19(20-22-24)17-11-5-3-6-12-17/h3,5-6,11-12,18H,2,4,7-10,13-16H2,1H3.
What are the key properties of N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine?
N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine has a molecular weight of 327.48 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine is sourced from PubChem (CID 56550368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).