N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine

C11H20N4 — CID 114691509

IUPACN-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine
SMILESCn1nncc1C(C)(C)CCNC1CC1
InChIInChI=1S/C11H20N4/c1-11(2,6-7-12-9-4-5-9)10-8-13-14-15(10)3/h8-9,12H,4-7H2,1-3H3
InChIKeyOYLGFQUAOUKVHO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.23
Rot. Bonds5

About N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine

N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine (PubChem CID 114691509) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine
PubChem CID114691509
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine
SMILESCn1nncc1C(C)(C)CCNC1CC1
InChIInChI=1S/C11H20N4/c1-11(2,6-7-12-9-4-5-9)10-8-13-14-15(10)3/h8-9,12H,4-7H2,1-3H3
InChIKeyOYLGFQUAOUKVHO-UHFFFAOYSA-N
XLogP1.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-2-(3-methyltriazol-4-yl)propan-2-ol
CID 114691278
N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
CID 114690474
N-[3,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butyl]cyclopropanamine
CID 81023570
2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone
CID 114691892
N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81022096
N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine
CID 83068383
N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 79830033
N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 102765283
3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine
CID 130948333
2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114691275
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine (CID 114691509) is N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine is Cn1nncc1C(C)(C)CCNC1CC1.
What is the InChIKey of N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine?
The InChIKey is OYLGFQUAOUKVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2,6-7-12-9-4-5-9)10-8-13-14-15(10)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine?
N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine has a molecular weight of 208.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine is sourced from PubChem (CID 114691509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).