N-methyl-4-(3-methylbutoxy)pentan-2-amine

C11H25NO — CID 64708505

IUPACN-methyl-4-(3-methylbutoxy)pentan-2-amine
SMILESCNC(C)CC(C)OCCC(C)C
InChIInChI=1S/C11H25NO/c1-9(2)6-7-13-11(4)8-10(3)12-5/h9-12H,6-8H2,1-5H3
InChIKeyJNBSAXZZGPXXIR-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds7

About N-methyl-4-(3-methylbutoxy)pentan-2-amine

N-methyl-4-(3-methylbutoxy)pentan-2-amine (PubChem CID 64708505) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-methyl-4-(3-methylbutoxy)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methylbutoxy)pentan-2-amine
PubChem CID64708505
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-methyl-4-(3-methylbutoxy)pentan-2-amine
SMILESCNC(C)CC(C)OCCC(C)C
InChIInChI=1S/C11H25NO/c1-9(2)6-7-13-11(4)8-10(3)12-5/h9-12H,6-8H2,1-5H3
InChIKeyJNBSAXZZGPXXIR-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-propoxypentan-2-amine
CID 64721571
4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine
CID 106665316
4-(cyclopropylmethoxy)-N-methylpentan-2-amine
CID 64708927
1-(4-bromobutan-2-yloxy)-3-methylbutane
CID 131855692
N-methyl-5-(3-methylbutoxy)pentan-2-amine
CID 61484601
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-3-methylbutane
CID 140766822
4-[3-(methylamino)butoxy]pentanoic acid
CID 167017685
2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol
CID 87594650
3-methylbutoxymethanediol
CID 54490534
4-(3-methylbutoxy)-N-propylpentan-1-amine
CID 62445161
1-(2-butan-2-yloxyethoxy)-3-methylbutane
CID 165127882
methyl 2-methyl-2-(methylamino)-4-(3-methylbutoxy)pentanoate
CID 64706329

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylbutoxy)pentan-2-amine?
The IUPAC name of N-methyl-4-(3-methylbutoxy)pentan-2-amine (CID 64708505) is N-methyl-4-(3-methylbutoxy)pentan-2-amine.
What is the SMILES notation for N-methyl-4-(3-methylbutoxy)pentan-2-amine?
The canonical SMILES for N-methyl-4-(3-methylbutoxy)pentan-2-amine is CNC(C)CC(C)OCCC(C)C.
What is the InChIKey of N-methyl-4-(3-methylbutoxy)pentan-2-amine?
The InChIKey is JNBSAXZZGPXXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)6-7-13-11(4)8-10(3)12-5/h9-12H,6-8H2,1-5H3.
What are the key properties of N-methyl-4-(3-methylbutoxy)pentan-2-amine?
N-methyl-4-(3-methylbutoxy)pentan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylbutoxy)pentan-2-amine is sourced from PubChem (CID 64708505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).