N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine

C17H34N6 — CID 23736749

IUPACN-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine
SMILESCCCCn1nnnc1C(NCC1CCCC(CN)C1)C(C)C
InChIInChI=1S/C17H34N6/c1-4-5-9-23-17(20-21-22-23)16(13(2)3)19-12-15-8-6-7-14(10-15)11-18/h13-16,19H,4-12,18H2,1-3H3
InChIKeyNOEPRLBEMLKLCK-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.53
Rot. Bonds9

About N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine

N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine (PubChem CID 23736749) has the molecular formula C17H34N6 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine
PubChem CID23736749
Molecular FormulaC17H34N6
Molecular Weight322.50 g/mol
Exact Mass322.28
IUPAC NameN-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine
SMILESCCCCn1nnnc1C(NCC1CCCC(CN)C1)C(C)C
InChIInChI=1S/C17H34N6/c1-4-5-9-23-17(20-21-22-23)16(13(2)3)19-12-15-8-6-7-14(10-15)11-18/h13-16,19H,4-12,18H2,1-3H3
InChIKeyNOEPRLBEMLKLCK-UHFFFAOYSA-N
XLogP2.53
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine (CID 23736749) is N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine is CCCCn1nnnc1C(NCC1CCCC(CN)C1)C(C)C.
What is the InChIKey of N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine?
The InChIKey is NOEPRLBEMLKLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6/c1-4-5-9-23-17(20-21-22-23)16(13(2)3)19-12-15-8-6-7-14(10-15)11-18/h13-16,19H,4-12,18H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine?
N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine has a molecular weight of 322.50 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(1-butyltetrazol-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 23736749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).