N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine

C10H20ClNO — CID 106437796

IUPACN-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine
SMILESCCCC(COC)NCC(C)=CCl
InChIInChI=1S/C10H20ClNO/c1-4-5-10(8-13-3)12-7-9(2)6-11/h6,10,12H,4-5,7-8H2,1-3H3
InChIKeyKOMGDQUWNFBZRG-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.53
Rot. Bonds7

About N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine

N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine (PubChem CID 106437796) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine
PubChem CID106437796
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine
SMILESCCCC(COC)NCC(C)=CCl
InChIInChI=1S/C10H20ClNO/c1-4-5-10(8-13-3)12-7-9(2)6-11/h6,10,12H,4-5,7-8H2,1-3H3
InChIKeyKOMGDQUWNFBZRG-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide
CID 77035792
3-(1-methoxypentan-2-ylamino)propane-1,2-diol
CID 77035883
N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfanylbutan-2-amine
CID 106438115
1-methoxy-N-(4-methoxybutyl)pentan-2-amine
CID 104647445
(Z)-2-ethyl-4-(1-methoxypentan-2-ylamino)but-2-enoic acid
CID 103253623
N-(1-methoxypentan-2-yl)formamide
CID 64991687
2-(1-methoxyhexan-2-ylamino)-N-methylacetamide
CID 115706822
methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate
CID 106437639
2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
CID 106437749
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103253640

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine (CID 106437796) is N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine is CCCC(COC)NCC(C)=CCl.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine?
The InChIKey is KOMGDQUWNFBZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-4-5-10(8-13-3)12-7-9(2)6-11/h6,10,12H,4-5,7-8H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine?
N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine has a molecular weight of 205.73 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine is sourced from PubChem (CID 106437796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).