N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine

C12H23NO — CID 103605831

IUPACN-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNCCCOCC1CC1
InChIInChI=1S/C12H23NO/c1-11(2)6-8-13-7-3-9-14-10-12-4-5-12/h6,12-13H,3-5,7-10H2,1-2H3
InChIKeyHPLCRDOWKQJNSF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine

N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine (PubChem CID 103605831) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine
PubChem CID103605831
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNCCCOCC1CC1
InChIInChI=1S/C12H23NO/c1-11(2)6-8-13-7-3-9-14-10-12-4-5-12/h6,12-13H,3-5,7-10H2,1-2H3
InChIKeyHPLCRDOWKQJNSF-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]but-2-en-1-amine
CID 106546970
N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine
CID 43130311
3-(cyclopropylmethoxy)-N-methylpropan-1-amine
CID 60697422
3-methyl-N-[2-(4-methylcyclohexyl)ethyl]but-2-en-1-amine
CID 107899968
3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine
CID 106547392
N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 107899865
N-(3-methylbut-2-enyl)decan-1-amine
CID 107900086
6-(3-methylbut-2-enylamino)hexan-1-ol
CID 106547380
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine
CID 107899966
2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 115868513
N-[2-(cyclopentylmethoxy)ethyl]-3-methoxypropan-1-amine
CID 66322077
N-[2-(cyclopropylmethoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62598711

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine (CID 103605831) is N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine is CC(C)=CCNCCCOCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine?
The InChIKey is HPLCRDOWKQJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)6-8-13-7-3-9-14-10-12-4-5-12/h6,12-13H,3-5,7-10H2,1-2H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine?
N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine is sourced from PubChem (CID 103605831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).