N-methylpropan-1-amine;pentanal

C9H21NO — CID 145316342

IUPACN-methylpropan-1-amine;pentanal
SMILESCCCCC=O.CCCNC
InChIInChI=1S/C5H10O.C4H11N/c1-2-3-4-5-6;1-3-4-5-2/h5H,2-4H2,1H3;5H,3-4H2,1-2H3
InChIKeyVYIBAQWHWBQQQK-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.99
Rot. Bonds5

About N-methylpropan-1-amine;pentanal

N-methylpropan-1-amine;pentanal (PubChem CID 145316342) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-methylpropan-1-amine;pentanal.

Molecular Properties

Compound NameN-methylpropan-1-amine;pentanal
PubChem CID145316342
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-methylpropan-1-amine;pentanal
SMILESCCCCC=O.CCCNC
InChIInChI=1S/C5H10O.C4H11N/c1-2-3-4-5-6;1-3-4-5-2/h5H,2-4H2,1H3;5H,3-4H2,1-2H3
InChIKeyVYIBAQWHWBQQQK-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
neodymium;pentanal
CID 87838749
pentanal;stannane
CID 173131916
pentanal;silver;vanadium
CID 87225713
20-(methylamino)icosanal
CID 177224793
ethane;8-(methylamino)octanal
CID 164864481
ethane;9-(methylamino)nonanal
CID 164864319
4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine
CID 145076683
ethane-1,2-diol;pentanal
CID 87390280
hexanal;trihydrochloride
CID 175325753
decanal;decane
CID 157361056
hexanal;titanium
CID 87066655

Frequently Asked Questions

What is the IUPAC name of N-methylpropan-1-amine;pentanal?
The IUPAC name of N-methylpropan-1-amine;pentanal (CID 145316342) is N-methylpropan-1-amine;pentanal.
What is the SMILES notation for N-methylpropan-1-amine;pentanal?
The canonical SMILES for N-methylpropan-1-amine;pentanal is CCCCC=O.CCCNC.
What is the InChIKey of N-methylpropan-1-amine;pentanal?
The InChIKey is VYIBAQWHWBQQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H11N/c1-2-3-4-5-6;1-3-4-5-2/h5H,2-4H2,1H3;5H,3-4H2,1-2H3.
What are the key properties of N-methylpropan-1-amine;pentanal?
N-methylpropan-1-amine;pentanal has a molecular weight of 159.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropan-1-amine;pentanal is sourced from PubChem (CID 145316342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).