N-[3-(cyclopropylmethoxy)propyl]butan-2-amine

C11H23NO — CID 43206788

IUPACN-[3-(cyclopropylmethoxy)propyl]butan-2-amine
SMILESCCC(C)NCCCOCC1CC1
InChIInChI=1S/C11H23NO/c1-3-10(2)12-7-4-8-13-9-11-5-6-11/h10-12H,3-9H2,1-2H3
InChIKeyFVGXZJBVYCRTEP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]butan-2-amine

N-[3-(cyclopropylmethoxy)propyl]butan-2-amine (PubChem CID 43206788) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]butan-2-amine
PubChem CID43206788
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]butan-2-amine
SMILESCCC(C)NCCCOCC1CC1
InChIInChI=1S/C11H23NO/c1-3-10(2)12-7-4-8-13-9-11-5-6-11/h10-12H,3-9H2,1-2H3
InChIKeyFVGXZJBVYCRTEP-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine
CID 115707824
N-[3-(cyclopropylmethoxy)propyl]hexan-2-amine
CID 43770778
N-(3-ethoxypropyl)butan-2-amine
CID 43196213
N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine
CID 103920888
N-(3-propoxypropyl)butan-2-amine
CID 62715458
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate
CID 115352329
tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
CID 103387621
3-(cyclopropylmethoxy)-N-methylpropan-1-amine
CID 60697422
N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide
CID 113233538
3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
CID 43183021
N-[2-(oxolan-2-ylmethoxy)ethyl]butan-2-amine
CID 62572646

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]butan-2-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]butan-2-amine (CID 43206788) is N-[3-(cyclopropylmethoxy)propyl]butan-2-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]butan-2-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]butan-2-amine is CCC(C)NCCCOCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]butan-2-amine?
The InChIKey is FVGXZJBVYCRTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-10(2)12-7-4-8-13-9-11-5-6-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]butan-2-amine?
N-[3-(cyclopropylmethoxy)propyl]butan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 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]butan-2-amine is sourced from PubChem (CID 43206788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).