ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine

C14H33N — CID 145095631

IUPACethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine
SMILESCC.CC.CCCCN(C)CC1CC1C
InChIInChI=1S/C10H21N.2C2H6/c1-4-5-6-11(3)8-10-7-9(10)2;2*1-2/h9-10H,4-8H2,1-3H3;2*1-2H3
InChIKeyMDODGBOVBPEYMU-UHFFFAOYSA-N
MW215.42 g/mol
LogP4.43
Rot. Bonds5

About ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine

ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine (PubChem CID 145095631) has the molecular formula C14H33N and a molecular weight of 215.42 g/mol. Its IUPAC name is ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine
PubChem CID145095631
Molecular FormulaC14H33N
Molecular Weight215.42 g/mol
Exact Mass215.26
IUPAC Nameethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine
SMILESCC.CC.CCCCN(C)CC1CC1C
InChIInChI=1S/C10H21N.2C2H6/c1-4-5-6-11(3)8-10-7-9(10)2;2*1-2/h9-10H,4-8H2,1-3H3;2*1-2H3
InChIKeyMDODGBOVBPEYMU-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63865857
N'-methyl-N'-[(2-methylcyclopropyl)methyl]pentane-1,5-diamine
CID 63877714
6-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]hexan-1-amine
CID 63866253
1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine
CID 63880126
5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide
CID 63866396
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
2-[[butyl(methyl)amino]methyl]cyclopentan-1-amine
CID 62616937
2-ethyl-2-(methylamino)-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentan-1-ol
CID 106808784
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine
CID 63865609
1-amino-2-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]hexan-2-ol
CID 64820271
2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)pentan-1-ol
CID 64791640
N,N-dimethyl-1-[(2S)-2-methylcyclopropyl]methanamine
CID 153082605

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine?
The IUPAC name of ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine (CID 145095631) is ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine.
What is the SMILES notation for ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine?
The canonical SMILES for ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine is CC.CC.CCCCN(C)CC1CC1C.
What is the InChIKey of ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine?
The InChIKey is MDODGBOVBPEYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.2C2H6/c1-4-5-6-11(3)8-10-7-9(10)2;2*1-2/h9-10H,4-8H2,1-3H3;2*1-2H3.
What are the key properties of ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine?
ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine has a molecular weight of 215.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine is sourced from PubChem (CID 145095631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).