N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine

C12H21N — CID 114449137

IUPACN-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CCNC(C1CC1)C1CC1
InChIInChI=1S/C12H21N/c1-9(2)7-8-13-12(10-3-4-10)11-5-6-11/h10-13H,1,3-8H2,2H3
InChIKeyMKHAEOVMPJYOKX-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.73
Rot. Bonds6

About N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine

N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine (PubChem CID 114449137) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine
PubChem CID114449137
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CCNC(C1CC1)C1CC1
InChIInChI=1S/C12H21N/c1-9(2)7-8-13-12(10-3-4-10)11-5-6-11/h10-13H,1,3-8H2,2H3
InChIKeyMKHAEOVMPJYOKX-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160
N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine
CID 104929557
N-(1-cyclohexylethyl)-3-methylbut-3-en-1-amine
CID 114449114
N'-(dicyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61480803
N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 65391054
5-(dicyclopropylmethylamino)pentan-2-ol
CID 107270439
3-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 112700222
3-ethyl-N-(3-methylbut-3-enyl)pentan-2-amine
CID 114449141
(2R)-1-(dicyclopropylmethylamino)propan-2-ol
CID 93082129
2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine
CID 79178837
N-(dicyclopropylmethyl)-2-[2-(dimethylamino)ethoxy]ethanamine
CID 107094173
2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine
CID 62577333

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine?
The IUPAC name of N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine (CID 114449137) is N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine is C=C(C)CCNC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine?
The InChIKey is MKHAEOVMPJYOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)7-8-13-12(10-3-4-10)11-5-6-11/h10-13H,1,3-8H2,2H3.
What are the key properties of N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine?
N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 114449137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).