N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine

C12H23N5 — CID 107053558

IUPACN-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1nnn(C)n1
InChIInChI=1S/C12H23N5/c1-9(2)12(3,8-13-10-5-6-10)7-11-14-16-17(4)15-11/h9-10,13H,5-8H2,1-4H3
InChIKeyCIFSFBNZOBJIKI-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.17
Rot. Bonds6

About N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine

N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine (PubChem CID 107053558) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine
PubChem CID107053558
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1nnn(C)n1
InChIInChI=1S/C12H23N5/c1-9(2)12(3,8-13-10-5-6-10)7-11-14-16-17(4)15-11/h9-10,13H,5-8H2,1-4H3
InChIKeyCIFSFBNZOBJIKI-UHFFFAOYSA-N
XLogP1.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
CID 107053624
2,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107046659
4-chloro-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054011
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053545
N-[2-[(2-methyltetrazol-5-yl)methyl]pentyl]cyclopropanamine
CID 107052904
3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine
CID 107042690
N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine
CID 83150850
2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053537
N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151196
N-ethyl-2,2-dimethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053097
N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042658
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine (CID 107053558) is N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine is CC(C)C(C)(CNC1CC1)Cc1nnn(C)n1.
What is the InChIKey of N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine?
The InChIKey is CIFSFBNZOBJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9(2)12(3,8-13-10-5-6-10)7-11-14-16-17(4)15-11/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine?
N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine has a molecular weight of 237.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 107053558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).