N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine

C9H19N5 — CID 107044605

IUPACN,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
SMILESCNC(CCc1nnn(C)n1)C(C)C
InChIInChI=1S/C9H19N5/c1-7(2)8(10-3)5-6-9-11-13-14(4)12-9/h7-8,10H,5-6H2,1-4H3
InChIKeyPBYPEKXTAOTWTH-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.39
Rot. Bonds5

About N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine

N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine (PubChem CID 107044605) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
PubChem CID107044605
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
SMILESCNC(CCc1nnn(C)n1)C(C)C
InChIInChI=1S/C9H19N5/c1-7(2)8(10-3)5-6-9-11-13-14(4)12-9/h7-8,10H,5-6H2,1-4H3
InChIKeyPBYPEKXTAOTWTH-UHFFFAOYSA-N
XLogP0.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine
CID 107054920
N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
CID 107044611
5-(4-chloropentyl)-2-methyltetrazole
CID 107055052
N-methyl-6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054892
5-(3-chloro-2-methylbutyl)-2-methyltetrazole
CID 107052382
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
5-(4-bromobutyl)-2-methyltetrazole
CID 107055081
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107052346
N-[(2-methyltetrazol-5-yl)methyl]pent-4-yn-2-amine
CID 107042700
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol
CID 107057781
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107052807
1-cyclopentyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107044748

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine?
The IUPAC name of N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine (CID 107044605) is N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine.
What is the SMILES notation for N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine?
The canonical SMILES for N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine is CNC(CCc1nnn(C)n1)C(C)C.
What is the InChIKey of N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine?
The InChIKey is PBYPEKXTAOTWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-7(2)8(10-3)5-6-9-11-13-14(4)12-9/h7-8,10H,5-6H2,1-4H3.
What are the key properties of N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine?
N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine has a molecular weight of 197.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine is sourced from PubChem (CID 107044605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).